4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-[1-adamantyl(oxo)methyl]-4-piperidinylidene]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-(adamantane-1-carbonyl)piperidin-4-ylidene]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-methoxy-benzoic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C=C2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C=C2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO4/c1-30-22-12-21(23(27)28)3-2-20(22)11-16-4-6-26(7-5-16)24(29)25-13-17-8-18(14-25)10-19(9-17)15-25/h2-3,11-12,17-19H,4-10,13-15H2,1H3,(H,27,28)